1-[(Z)-benzylideneamino]-2-imino-3-phenyl-5-phenyliminoimidazolidine-4-thione
Formula:C22H17N5S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
1-[(Z)-benzylideneamino]-2-imino-3-phenyl-5-phenyliminoimidazolidine-4-thione is a drug-like molecule.
| MolName | 1-[(Z)-benzylideneamino]-2-imino-3-phenyl-5-phenyliminoimidazolidine-4-thione |
| MolecularFormula | C22H17N5S |
| Smiles | N=C(N(C(/C1=N/c2ccccc2)=S)c2ccccc2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H17N5S/c23-22-26(19-14-8-3-9-15-19)21(28)20(25-18-12-6-2-7-13-18)27(22)24-16-17-10-4-1-5-11-17/h1-16,23H |
| InChIK | QFBPZYKOVCWBFE-UHFFFAOYSA-N |
| TotalMolweight | 383.478 |
| Molweight | 383.478 |
| MonoisotopicMass | 383.120465 |
| CLogP | 3.2381 |
| CLogS | -5.153 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.63 |
| Relative PSA | 0.24522 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | 3.8855 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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